2-quinolin-4-ylpropyl acetate

C14H15NO2 — CID 100926213

IUPAC2-quinolin-4-ylpropyl acetate
SMILESCC(=O)OCC(C)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO2/c1-10(9-17-11(2)16)12-7-8-15-14-6-4-3-5-13(12)14/h3-8,10H,9H2,1-2H3
InChIKeyOGADDSYXWPNYLG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds3

About 2-quinolin-4-ylpropyl acetate

2-quinolin-4-ylpropyl acetate (PubChem CID 100926213) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-quinolin-4-ylpropyl acetate.

Molecular Properties

Compound Name2-quinolin-4-ylpropyl acetate
PubChem CID100926213
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-quinolin-4-ylpropyl acetate
SMILESCC(=O)OCC(C)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO2/c1-10(9-17-11(2)16)12-7-8-15-14-6-4-3-5-13(12)14/h3-8,10H,9H2,1-2H3
InChIKeyOGADDSYXWPNYLG-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylpropyl acetate?
The IUPAC name of 2-quinolin-4-ylpropyl acetate (CID 100926213) is 2-quinolin-4-ylpropyl acetate.
What is the SMILES notation for 2-quinolin-4-ylpropyl acetate?
The canonical SMILES for 2-quinolin-4-ylpropyl acetate is CC(=O)OCC(C)c1ccnc2ccccc12.
What is the InChIKey of 2-quinolin-4-ylpropyl acetate?
The InChIKey is OGADDSYXWPNYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(9-17-11(2)16)12-7-8-15-14-6-4-3-5-13(12)14/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-quinolin-4-ylpropyl acetate?
2-quinolin-4-ylpropyl acetate has a molecular weight of 229.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylpropyl acetate is sourced from PubChem (CID 100926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).